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2-(4-methoxy-2-nitro-phenyl)sulfanylethanoic acid

2-(4-methoxy-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name:2-(4-methoxy-2-nitro-phenyl)sulfanylethanoic acid
Openeye Name:2-(4-methoxy-2-nitro-phenyl)sulfanylacetic acid
CAS Name:2-[(4-methoxy-2-nitrophenyl)thio]acetic acid
IUPAC Name:2-(4-methoxy-2-nitrophenyl)sulfanylacetic acid
Traditional Name:2-[(4-methoxy-2-nitro-phenyl)thio]acetic acid
Formula: C9H9NO5S
MolecularWeight: 243.23646
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

COC1=CC(=C(C=C1)SCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C9H9NO5S/c1-15-6-2-3-8(16-5-9(11)12)7(4-6)10(13)14/h2-4H,5H2,1H3,(H,11,12)


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